5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
Basic information
- CAS
36036-87-0- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCC(Br)(Br)C(=O)c3ccccc32)cc1- InChIKey
VLKGRULXQJUGJJ-UHFFFAOYSA-N- Molecular formula
- C18H17Br2NO3S
- Average molar mass
- 487.2 g/mol
- Monoisotopic mass
- 484.92959
Names & identifiers
- Preferred name
- 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
- IUPAC
- 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
Names & synonyms
36036-87-0NSC163849DTXSID00303987NSC-1638495,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
Database identifiers
- CAS
36036-87-0- PubChem CID
- 294801
- DTXSID
DTXSID00303987
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…